2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione

C20H16Cl2N4O6 — CID 22339531

IUPAC2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESO=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCOCC1
InChIInChI=1S/C20H16Cl2N4O6/c21-14-7-11(26-20(30)24-17(28)10-23-26)8-15(22)18(14)32-12-1-2-16(27)13(9-12)19(29)25-3-5-31-6-4-25/h1-2,7-10,27H,3-6H2,(H,24,28,30)
InChIKeyZOLMNZVRDNSSAX-UHFFFAOYSA-N
MW479.28 g/mol
LogP2.20
Rot. Bonds4

About 2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione

2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 22339531) has the molecular formula C20H16Cl2N4O6 and a molecular weight of 479.28 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID22339531
Molecular FormulaC20H16Cl2N4O6
Molecular Weight479.28 g/mol
Exact Mass478.04
IUPAC Name2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESO=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCOCC1
InChIInChI=1S/C20H16Cl2N4O6/c21-14-7-11(26-20(30)24-17(28)10-23-26)8-15(22)18(14)32-12-1-2-16(27)13(9-12)19(29)25-3-5-31-6-4-25/h1-2,7-10,27H,3-6H2,(H,24,28,30)
InChIKeyZOLMNZVRDNSSAX-UHFFFAOYSA-N
XLogP2.20
TPSA126.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione (CID 22339531) is 2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione is O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCOCC1.
What is the InChIKey of 2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is ZOLMNZVRDNSSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O6/c21-14-7-11(26-20(30)24-17(28)10-23-26)8-15(22)18(14)32-12-1-2-16(27)13(9-12)19(29)25-3-5-31-6-4-25/h1-2,7-10,27H,3-6H2,(H,24,28,30).
What are the key properties of 2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione?
2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 479.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 22339531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).